%chk=000102796.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102796

0 1
 S   -1.551200       2.949800     -0.8589000    
 O   -1.374900     -0.4656000      0.2226000    
 O    2.109800      0.4683000     -5.6200001E-02
 O   -2.529900       1.980900      -1.730800    
 O   -1.741200       1.153300       1.822600    
 O  -0.7723000       3.769700      -1.764100    
 O   -2.309800       3.523000      0.2342000    
 O    2.026000       1.078800       2.166300    
 C   -1.578500      -2.840000      0.3935000    
 C   -2.864300      -2.991600     -0.4391000    
 C   -1.437700      -1.529700       1.177500    
 C    3.706300     -0.8953000      -1.196600    
 C    2.811800      -2.133100      -1.389100    
 C    3.434600     -6.0400002E-02  6.0600001E-02
 C  -0.5028000       1.675500     -0.2067000    
 C   0.7178000       2.272300      0.4937000    
 C   -2.880400      -1.947700      -1.559300    
 C   -4.128100      -2.856500      0.4105000    
 C  -0.1871000      -1.475000       2.044500    
 C   -1.280700      0.7930000      0.7474000    
 C    2.886700      -3.096300     -0.2042000    
 C    1.361300      -1.693400      -1.606900    
 C    4.404100       1.100400      0.2370000    
 C    1.680300       1.219600       1.001500    
 H  -0.7195000      -2.976600     -0.2696000    
 H   -1.541900      -3.672600       1.108500    
 H   -2.851500      -3.989800     -0.8941000    
 H   -2.315000      -1.390500       1.819200    
 H    4.751200      -1.231000      -1.173300    
 H    3.605700     -0.2546000      -2.082900    
 H    3.153600      -2.657300      -2.290200    
 H    3.493100     -0.7014000      0.9474000    
 H  -0.1710000       1.088300      -1.071400    
 H   0.4075000       2.878300       1.354200    
 H    1.275700       2.941500     -0.1716000    
 H   -3.185300     -0.9556000      -1.214500    
 H   -3.615900      -2.242500      -2.317500    
 H   -1.912000      -1.875500      -2.064700    
 H   -5.013600      -3.097100     -0.1881000    
 H   -4.102000      -3.548200       1.258800    
 H   -4.263500      -1.841800      0.7978000    
 H  -0.1388000      -2.352700       2.698000    
 H  -0.1725000     -0.5965000       2.695600    
 H   0.7244000      -1.450300       1.449300    
 H    2.486500      -2.667300      0.7171000    
 H    3.923200      -3.395700     -1.6700000E-02
 H    2.312500      -4.004600     -0.4174000    
 H    1.292600     -0.8842000      -2.341600    
 H   0.7845000      -2.534600      -2.007900    
 H   0.8701000      -1.381800     -0.6918000    
 H    4.266600       1.847700     -0.5526000    
 H    4.272300       1.617700       1.191700    
 H    5.440000      0.7474000      0.2008000    
 H   -2.123800       1.577600      -2.533800    


%chk=000102796-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102796

0 1
S -1.553144 2.007196 -1.122264
O -1.417780 -1.084484 0.193033
O 2.494846 0.901004 -0.292478
O -3.003723 1.835000 0.028890
O -1.132685 0.173280 2.148106
O -1.880999 1.244202 -2.507163
O -1.115563 3.565916 -1.180937
O 2.874565 2.007389 1.728364
C -2.941257 -3.031970 0.007904
C -4.110610 -2.371888 -0.785586
C -2.134711 -2.168655 0.988626
C 4.041361 -0.698821 -1.300554
C 3.843327 -2.068273 -0.589517
C 3.970243 0.561657 -0.421188
C -0.228247 0.980534 0.016712
C 0.617763 2.003501 0.756992
C -3.641391 -1.719336 -2.107592
C -4.932066 -1.381582 0.074881
C -1.074552 -2.976484 1.753687
C -0.983703 0.008778 0.915957
C 4.989183 -2.374303 0.406720
C 2.463755 -2.213189 0.096092
C 4.678523 1.778625 -1.031728
C 2.103351 1.642431 0.814855
H -2.240371 -3.512981 -0.703087
H -3.358560 -3.847932 0.634358
H -4.787951 -3.208610 -1.061713
H -2.792023 -1.637222 1.700694
H 5.037263 -0.703775 -1.787872
H 3.296453 -0.585071 -2.112878
H 3.894312 -2.832566 -1.394024
H 4.340493 0.383299 0.604903
H 0.303573 0.454318 -0.792012
H 0.253422 2.129676 1.789326
H 0.549370 2.994580 0.258699
H -2.952755 -0.876606 -1.934098
H -4.507825 -1.337170 -2.680166
H -3.117587 -2.456062 -2.746196
H -5.833137 -1.054241 -0.476303
H -5.269012 -1.842424 1.023591
H -4.343018 -0.477590 0.318650
H -1.569743 -3.769293 2.343080
H -0.512917 -2.335604 2.452712
H -0.368790 -3.456273 1.052857
H 4.984845 -1.673142 1.262976
H 5.978934 -2.307745 -0.082952
H 4.884085 -3.394078 0.820614
H 1.636372 -1.990723 -0.602590
H 2.329105 -3.245328 0.471174
H 2.370608 -1.531413 0.961824
H 4.300089 1.983433 -2.048934
H 4.533803 2.675778 -0.406725
H 5.763995 1.582373 -1.098630
H -3.796520 2.248164 -0.420389


